/icmpspt

MPS perturbation

Primary LanguagePythonApache License 2.0Apache-2.0

MPS perturbation

2021-02-27

  • Version 0.1

Install

  • Install to python site-packages folder
pip install git+https://github.com/pyscf/icmpspt
  • Install in a custom folder for development
git clone https://github.com/pyscf/icmpspt /home/abc/local/path

# Set pyscf extended module path
echo 'export PYSCF_EXT_PATH=/home/abc/local/path:$PYSCF_EXT_PATH' >> ~/.bashrc

You can find more details of extended modules in the document extension modules